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CAS 1049730-40-6 1-(2,2-difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole molecular structure lightbox
CAS RN: 1049730-40-6

1-(2,2-difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260303 1g In stock Shanghai Inquiry
Batchno.20250919 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260201 5g In stock Shanghai Inquiry
  • Product code: SSC-006726
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1049730-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1049730-40-6 / 1-(2,2-difluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1-(2,2-Difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole | RefChem:420232 | 897-970-8

Standard CAS: 1049730-40-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1049730-40-6
Multi CAS
No
Molecular Formula
C11H17BF2N2O2
Molecular Weight
258.070000
Exact Mass
258.135114
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(F)F
InChI
InChI=1S/C11H17BF2N2O2/c1-10(2)11(3,4)18-12(17-10)8-5-15-16(6-8)7-9(13)14/h5-6,9H,7H2,1-4H3
InChIKey
VIJHBGGAAIINTO-UHFFFAOYSA-N
Synonyms
1-(2,2-Difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole RefChem:420232 897-970-8 1-(2,2-Difluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole MFCD18383265

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.95
TPSA
36.28

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.45
Consensus LogP
1.39
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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